(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane

C12H16O2 — CID 59041484

IUPAC(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane
SMILESCC1CO[C@H](CCc2ccccc2)O1
InChIInChI=1S/C12H16O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10?,12-/m0/s1
InChIKeyXYKVFYYSMNGELO-KFJBMODSSA-N
MW192.26 g/mol
LogP2.38
Rot. Bonds3

About (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane

(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane (PubChem CID 59041484) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane
PubChem CID59041484
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane
SMILESCC1CO[C@H](CCc2ccccc2)O1
InChIInChI=1S/C12H16O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10?,12-/m0/s1
InChIKeyXYKVFYYSMNGELO-KFJBMODSSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6S)-6-methyl-2-(2-phenylethyl)-1,3-dioxan-4-one
CID 18631286
(2R,4R)-4-methyl-2-[2-(5-methylfuran-2-yl)ethyl]-1,3-dioxolane
CID 23272411
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
2-[2-(2-phenylethyl)-1,3-dioxolan-4-yl]benzene-1,4-diol
CID 25228034
(2S,5S)-2,5-bis(2-phenylethyl)oxolane
CID 11108749
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
4-methyl-2-phenyl-1,3-dioxolane;phenylmethoxymethylbenzene
CID 175322944
3-(4-methyl-1,3-dioxolan-2-yl)propan-1-ol
CID 154524660
2-(2-phenylethyl)oxetane
CID 13354102
(2S,3R)-3-methoxy-2-(2-phenylethyl)oxetane
CID 71403895
(2S,3S)-3-methyl-2-(4-phenylbutyl)oxetane
CID 57244338
(2R,7S)-4,7-dimethyl-2-(2-phenylethyl)-2,3,6,7-tetrahydrooxepine
CID 134861940

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane?
The IUPAC name of (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane (CID 59041484) is (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane.
What is the SMILES notation for (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane?
The canonical SMILES for (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane is CC1CO[C@H](CCc2ccccc2)O1.
What is the InChIKey of (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane?
The InChIKey is XYKVFYYSMNGELO-KFJBMODSSA-N. The full InChI is InChI=1S/C12H16O2/c1-10-9-13-12(14-10)8-7-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10?,12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane?
(2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane has a molecular weight of 192.26 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-(2-phenylethyl)-1,3-dioxolane is sourced from PubChem (CID 59041484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).